CID 135412778

Asoxime cation

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
InChIKey
FJZDLOMCEPUCII-UHFFFAOYSA-P
Compound name
1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

443
References

155
Patents

288.12225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 161.8
[M+Na]+ 311.11147 177.4
[M+NH4]+ 306.15607 169.4
[M+K]+ 327.08541 173.1
[M-H]- 287.11497 167.9
[M+Na-2H]- 309.09692 171.1
[M]+ 288.12170 166.1
[M]- 288.12280 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe